ChemSpider 2D Image | N,N-Diallyl-2-[(1S,2R,5R,6R,8aR)-2,6-dihydroxy-5-(hydroxymethyl)-5,8a-dimethyldecahydro-1-naphthalenyl]acetamide | C21H35NO4

N,N-Diallyl-2-[(1S,2R,5R,6R,8aR)-2,6-dihydroxy-5-(hydroxymethyl)-5,8a-dimethyldecahydro-1-naphthalenyl]acetamide

  • Molecular FormulaC21H35NO4
  • Average mass365.507 Da
  • Monoisotopic mass365.256622 Da
  • ChemSpider ID21388925

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Naphthaleneacetamide, decahydro-2,6-dihydroxy-5-(hydroxymethyl)-5,8a-dimethyl-N,N-di-2-propen-1-yl-, (1S,2R,5R,6R,8aR)- [ACD/Index Name]
N,N-Diallyl-2-[(1S,2R,5R,6R,8aR)-2,6-dihydroxy-5-(hydroxyméthyl)-5,8a-diméthyldécahydro-1-naphtalényl]acétamide [French] [ACD/IUPAC Name]
N,N-Diallyl-2-[(1S,2R,5R,6R,8aR)-2,6-dihydroxy-5-(hydroxymethyl)-5,8a-dimethyldecahydro-1-naphthalenyl]acetamide [ACD/IUPAC Name]
N,N-Diallyl-2-[(1S,2R,5R,6R,8aR)-2,6-dihydroxy-5-(hydroxymethyl)-5,8a-dimethyldecahydro-1-naphthalinyl]acetamid [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 524.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.8±6.0 kJ/mol
Flash Point: 270.8±30.1 °C
Index of Refraction: 1.527
Molar Refractivity: 103.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.59
ACD/KOC (pH 5.5): 281.93
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.59
ACD/KOC (pH 7.4): 281.93
Polar Surface Area: 81 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 335.3±3.0 cm3

Click to predict properties on the Chemicalize site


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